Index

A

anisoap.representations.ellipsoidal_density_projection module anisoap.representations.radial_basis module anisoap.utils.cyclic_list module anisoap.utils.metatensor_utils module

anisoap.utils.moment_generator module anisoap.utils.monomial_iterator module anisoap.utils.shortcuts module anisoap.utils.spherical_to_cartesian module

C

calc_overlap_matrix() (anisoap.representations.radial_basis.GTORadialBasis method) (anisoap.representations.radial_basis.MonomialBasis method) cg_combine() (in module anisoap.utils.metatensor_utils) CGRCacheList (class in anisoap.utils.cyclic_list)

clear_cache() (anisoap.utils.cyclic_list.CGRCacheList method) compute_moments_diagonal_inefficient_implementation() (in module anisoap.utils.moment_generator) compute_moments_inefficient_implementation() (in module anisoap.utils.moment_generator) compute_moments_single_variable() (in module anisoap.utils.moment_generator) contract_pairwise_feat() (in module anisoap.representations.ellipsoidal_density_projection)

E

EllipsoidalDensityProjection (class in anisoap.representations.ellipsoidal_density_projection)

F

feature_gradients (anisoap.representations.ellipsoidal_density_projection.EllipsoidalDensityProjection attribute)

features (anisoap.representations.ellipsoidal_density_projection.EllipsoidalDensityProjection attribute) find_idx() (anisoap.utils.monomial_iterator.TrivariateMonomialIndices method)

G

get_basis() (anisoap.representations.radial_basis.GTORadialBasis method) (anisoap.representations.radial_basis.MonomialBasis method) get_num_radial_functions() (anisoap.representations.radial_basis.GTORadialBasis method) (anisoap.representations.radial_basis.MonomialBasis method)

get_val() (anisoap.utils.cyclic_list.CGRCacheList method) gto_overlap() (in module anisoap.representations.radial_basis) gto_prefactor() (in module anisoap.representations.radial_basis) gto_square_norm() (in module anisoap.representations.radial_basis) GTORadialBasis (class in anisoap.representations.radial_basis)

I

insert() (anisoap.utils.cyclic_list.CGRCacheList method)

inverse_matrix_sqrt() (in module anisoap.representations.radial_basis)

K

keys() (anisoap.utils.cyclic_list.CGRCacheList method)

M

module anisoap.representations.ellipsoidal_density_projection anisoap.representations.radial_basis anisoap.utils.cyclic_list anisoap.utils.metatensor_utils anisoap.utils.moment_generator anisoap.utils.monomial_iterator anisoap.utils.shortcuts anisoap.utils.spherical_to_cartesian

monomial_overlap() (in module anisoap.representations.radial_basis) monomial_prefactor() (in module anisoap.representations.radial_basis) monomial_square_norm() (in module anisoap.representations.radial_basis) MonomialBasis (class in anisoap.representations.radial_basis)

O

orthonormalize_basis() (anisoap.representations.radial_basis.GTORadialBasis method) (anisoap.representations.radial_basis.MonomialBasis method)

P

pairwise_ellip_expansion() (in module anisoap.representations.ellipsoidal_density_projection) plot_basis() (anisoap.representations.radial_basis.GTORadialBasis method) (anisoap.representations.radial_basis.MonomialBasis method)

power_spectrum() (anisoap.representations.ellipsoidal_density_projection.EllipsoidalDensityProjection method) prefact_minus1() (in module anisoap.utils.spherical_to_cartesian) prefact_minus2() (in module anisoap.utils.spherical_to_cartesian)

S

spherical_to_cartesian() (in module anisoap.utils.spherical_to_cartesian)

standardize_keys() (in module anisoap.utils.metatensor_utils)

T

transform() (anisoap.representations.ellipsoidal_density_projection.EllipsoidalDensityProjection method)

TrivariateMonomialIndices (class in anisoap.utils.monomial_iterator)